(phenylmethyl) N-[(2S)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(4-cyclopropylcarbonylpiperazin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C(=O)C2CC2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C(=O)C2CC2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O4/c1-15(2)18(22-21(27)28-14-16-6-4-3-5-7-16)20(26)24-12-10-23(11-13-24)19(25)17-8-9-17/h3-7,15,17-18H,8-14H2,1-2H3,(H,22,27)/t18-/m0/s1